SCHEMBL4423422

SCHEMBL4423422

Nc1[nH]c(Nc2ccc(OCCN3CCCC3)cc2)nc2ncnc1-2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 11/20 0.50
INSR P06213 3/20 0.50
BACE1 P56817 11/20 0.48
LTA4H P09960 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH2 P25021 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4416345 0.81 SRC (0.48) LTA4H
SCHEMBL4414871 0.78 MAPT (0.45)
SCHEMBL351381 0.76 IRAK4 (0.59) HRH3
SCHEMBL374263 0.74 LTA4H (0.52) AXLINSRBACE1LTA4HPTGS1
SCHEMBL4411964 0.73 TTBK1 (0.49) INSR
SCHEMBL12708319 0.72 BACE1 (0.59) AXLINSRBACE1HRH3
SCHEMBL2498482 0.71 BACE1 (0.63) AXLINSRBACE1LTA4HPTGS1
SCHEMBL11877770 0.70 HRH3 (0.83) LTA4HHRH2HRH3
SCHEMBL4254804 0.69 AXL (0.64) AXLBACE1LTA4HPTGS2HRH2
SCHEMBL17915915 0.69 BRAF (0.56) AXLINSRBACE1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed